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Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(5-chloro-2-methoxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 9.46 -17.23 2 6 0 72 388.88 5 ↓
Mid Mid (pH 6-8) 4.20 9.62 -59.02 1 6 -1 69 387.872 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-fluorophenyl)-2-[3-(p-tolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.93 9.65 -14.5 2 5 0 63 342.399 4 ↓
Mid Mid (pH 6-8) 3.66 9.8 -54.78 1 5 -1 60 341.391 4 ↓

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(4-chloro-2-fluoro-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 10.17 -13.29 2 5 0 63 376.844 4 ↓
Mid Mid (pH 6-8) 4.31 10.32 -51.25 1 5 -1 60 375.836 4 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-methoxy-5-methyl-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.28 -16.86 2 7 0 81 384.461 6 ↓
Mid Mid (pH 6-8) 3.58 8.34 -55.72 1 7 -1 78 383.453 6 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-methoxy-5-methyl-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 9.63 -16.24 2 6 0 72 368.462 5 ↓
Mid Mid (pH 6-8) 3.97 9.78 -58.63 1 6 -1 69 367.454 5 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(3-acetylphenyl)-2-[3-(p-tolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 9.98 -28.67 2 6 0 80 366.446 5 ↓
Mid Mid (pH 6-8) 3.42 10.06 -74.51 1 6 -1 77 365.438 5 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-ethoxyphenyl)-2-[3-(p-tolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 9.91 -15.67 2 6 0 72 368.462 6 ↓
Mid Mid (pH 6-8) 3.93 9.97 -55.95 1 6 -1 69 367.454 6 ↓

Analogs

25267420
25267420

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Popular Name: N-(4-methylsulfanylphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-acetamide N-(4-methylsulfanylphenyl)-2-[3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 -2.87 -17.57 2 5 0 63 370.503 5 ↓

Analogs

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Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methylsulfanylphenyl)-acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 -3.17 -18.35 2 6 0 72 386.502 6 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2,5-dimethylphenyl)-2-[3-(p-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.64 11.12 -16.94 2 5 0 63 352.463 4 ↓
Mid Mid (pH 6-8) 4.37 11.25 -57.12 1 5 -1 60 351.455 4 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-methoxyphenyl)-2-[3-(m-toly…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 8.98 -16.49 2 6 0 72 354.435 5 ↓

Analogs

25442817
25442817

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Popular Name: N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[4-methyl-3-(methylsulfamoyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 6.59 -25.09 3 8 0 109 431.543 6 ↓
Mid Mid (pH 6-8) 2.99 6.43 -62.82 2 8 -1 106 430.535 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(2-methoxyphenyl)-2-[3-(p-toly…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 8.97 -19.08 2 6 0 72 354.435 5 ↓
Mid Mid (pH 6-8) 3.55 8.81 -59.42 1 6 -1 69 353.427 5 ↓

Analogs

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Popular Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 10.53 -21.57 2 5 0 63 392.406 5 ↓
Mid Mid (pH 6-8) 4.44 10.37 -58.65 1 5 -1 60 391.398 5 ↓

Analogs

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Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(trifluoromethyl)phenyl]acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 9.19 -22.56 2 6 0 72 408.405 6 ↓
Mid Mid (pH 6-8) 4.05 9.03 -58.09 1 6 -1 69 407.397 6 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(4-fluoro-2-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 10.42 -20.47 2 5 0 63 356.426 4 ↓
Mid Mid (pH 6-8) 4.08 10.26 -56.98 1 5 -1 60 355.418 4 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(4-fluoro-2-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 9.08 -21.38 2 6 0 72 372.425 5 ↓
Mid Mid (pH 6-8) 3.69 8.92 -56.33 1 6 -1 69 371.417 5 ↓

Analogs

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Popular Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-iodo-4-methyl-phenyl)acetamide 2-[3-(4-ethoxyphenyl)-5-thioxo-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 10.72 -19.03 2 6 0 72 494.358 6 ↓
Mid Mid (pH 6-8) 4.99 10.56 -55.12 1 6 -1 69 493.35 6 ↓

Analogs

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Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.98 -20.22 2 7 0 81 424.404 7 ↓
Mid Mid (pH 6-8) 4.12 8.08 -58.05 1 7 -1 78 423.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 9.2 -22.78 2 6 0 72 408.405 6 ↓
Mid Mid (pH 6-8) 4.02 9.3 -62.38 1 6 -1 69 407.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(4-chloro-3-fluoro-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 10.13 -21.51 2 5 0 63 376.844 4 ↓
Mid Mid (pH 6-8) 4.31 10.24 -60.91 1 5 -1 60 375.836 4 ↓

Analogs

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Popular Name: N-(2-ethoxy-4-fluoro-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-ethoxy-4-fluoro-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 9.98 -15.17 2 6 0 72 386.452 6 ↓
Mid Mid (pH 6-8) 4.07 10.03 -53.18 1 6 -1 69 385.444 6 ↓

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-ethoxy-4-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 10.58 -15.72 2 6 0 72 382.489 6 ↓
Mid Mid (pH 6-8) 4.35 10.64 -56.07 1 6 -1 69 381.481 6 ↓

Analogs

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Popular Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(5-tert-butyl-2-hydroxy-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 7.77 -17.91 3 7 0 92 412.515 6 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(4-methoxyphenyl)-2-[3-(p-toly…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 8.83 -17.92 2 6 0 72 354.435 5 ↓

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(3,4-dichlorophenyl)-2-[3-(p-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 10.54 -20.21 2 5 0 63 393.299 4 ↓
Mid Mid (pH 6-8) 4.83 10.65 -59.25 1 5 -1 60 392.291 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-chlorophenyl)-2-[3-(p-tolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 10.15 -14.11 2 5 0 63 358.854 4 ↓
Mid Mid (pH 6-8) 4.17 10.3 -54.39 1 5 -1 60 357.846 4 ↓

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(4-chloro-2-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 10.96 -16.72 2 5 0 63 372.881 4 ↓
Mid Mid (pH 6-8) 4.60 11.08 -54.65 1 5 -1 60 371.873 4 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-chloro-4-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 10.82 -14 2 5 0 63 372.881 4 ↓
Mid Mid (pH 6-8) 4.60 10.97 -54.3 1 5 -1 60 371.873 4 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-isopropylphenyl)-2-[3-(p-to…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 11.7 -16.3 2 5 0 63 366.49 5 ↓
Mid Mid (pH 6-8) 4.53 11.81 -56.62 1 5 -1 60 365.482 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2,4-difluorophenyl)-2-[3-(p-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 9.72 -13.57 2 5 0 63 360.389 4 ↓
Mid Mid (pH 6-8) 3.80 9.87 -51.37 1 5 -1 60 359.381 4 ↓

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(5-fluoro-2-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 10.52 -19.1 2 5 0 63 356.426 4 ↓
Mid Mid (pH 6-8) 4.08 10.64 -58.53 1 5 -1 60 355.418 4 ↓

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-methylsulfanylphenyl)-2-[3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 10.67 -15.48 2 5 0 63 370.503 5 ↓
Mid Mid (pH 6-8) 3.93 10.82 -57.4 1 5 -1 60 369.495 5 ↓

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-fluoro-4-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 10.33 -14.33 2 5 0 63 356.426 4 ↓
Mid Mid (pH 6-8) 4.08 10.48 -54.52 1 5 -1 60 355.418 4 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(2-fluoro-5-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.35 10.32 -14.62 2 5 0 63 356.426 4 ↓
Mid Mid (pH 6-8) 4.08 10.47 -55.33 1 5 -1 60 355.418 4 ↓

Analogs

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Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-[4-(difluoromethylsulfanyl)phe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 10.86 -21.03 2 5 0 63 406.483 6 ↓
Mid Mid (pH 6-8) 4.53 10.96 -61.96 1 5 -1 60 405.475 6 ↓

Analogs

55639775
55639775

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Popular Name: N-[4-[(1R)-1-methylpropoxy]phenyl]-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[4-[(1R)-1-methylpropoxy]pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 11.2 -18.34 2 6 0 72 396.516 7 ↓
Mid Mid (pH 6-8) 4.82 11.35 -56.47 1 6 -1 69 395.508 7 ↓

Analogs

55639773
55639773

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[4-[(1S)-1-methylpropoxy]pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 11.23 -19.72 2 6 0 72 396.516 7 ↓
Mid Mid (pH 6-8) 4.82 11.33 -57.25 1 6 -1 69 395.508 7 ↓

Analogs

55641526
55641526

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Popular Name: N-[4-[(1R)-1-methylpropoxy]phenyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[4-[(1R)-1-methylpropoxy]pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.11 11.21 -18.14 2 6 0 72 396.516 7 ↓
Mid Mid (pH 6-8) 4.84 11.36 -56.13 1 6 -1 69 395.508 7 ↓

Analogs

55641524
55641524

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Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[4-[(1S)-1-methylpropoxy]pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.11 11.24 -19.56 2 6 0 72 396.516 7 ↓
Mid Mid (pH 6-8) 4.84 11.34 -56.94 1 6 -1 69 395.508 7 ↓

Analogs

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Popular Name: N-(4-iodophenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-(4-iodophenyl)-2-[3-(4-methoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 9.29 -18.38 2 6 0 72 466.304 5 ↓
Mid Mid (pH 6-8) 4.23 9.39 -55.88 1 6 -1 69 465.296 5 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-(4-bromo-2-methyl-phenyl)-2-[3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.00 11.07 -16.65 2 5 0 63 417.332 4 ↓
Mid Mid (pH 6-8) 4.73 11.19 -54.54 1 5 -1 60 416.324 4 ↓

Analogs

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Popular Name: N-[4-(cyanomethoxy)phenyl]-2-[3-(p-tolyl)-5-sulfanyl-1,2,4-triazol-4-yl]acetamide N-[4-(cyanomethoxy)phenyl]-2-[3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 9.56 -21.49 2 7 0 96 379.445 6 ↓
Mid Mid (pH 6-8) 3.38 9.67 -59.22 1 7 -1 93 378.437 6 ↓

Parameters Provided:

ring.id = 24173
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 24173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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